Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | GLP1R | P43220 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | RHEB | Q15382 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4658983 | 0.90 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19PPARG | |
| SCHEMBL29394219 | 0.80 | ALDH1A1 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19GAA | |
| SCHEMBL118829 | 0.80 | ALDH1A1 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19GAA | |
| SCHEMBL6738861 | 0.78 | GAA (0.43) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL11510726 | 0.78 | ALDH1A1 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19GAA | |
| SCHEMBL4660132 | 0.72 | ALDH1A1 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19GAA | |
| SCHEMBL11685572 | 0.71 | PPARG (0.34) | GAAPPARGGLP1RKDM4EMEN1 | |
| SCHEMBL11482358 | 0.69 | CYP1A2 (0.33) | CYP1A2CYP2C9HPGD | |
| SCHEMBL8623725 | 0.67 | KDM4E (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19GAA | |
| SCHEMBL4660245 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4007258-A | Sustained release pesticidal composition | UNION CORPORATION (US) | 1977-02-08 | — | — | US | disclosed |